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Compounds
ALA2058181

(+/-)-N-(2-(2-(2-acetamidoethoxy)ethoxy)ethoxy)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-2-carboxamide

ID: ALA2058181

Chembl Id: CHEMBL2058181

PubChem CID: 70688480

Max Phase: Preclinical

Molecular Formula: C35H42N2O11

Molecular Weight: 666.72

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: COc1ccc(C23Oc4cc(OC)cc(OC)c4C2(O)C(O)C(C(=O)NOCCOCCOCCNC(C)=O)C3c2ccccc2)cc1

Standard InChI: InChI=1S/C35H42N2O11/c1-22(38)36-14-15-45-16-17-46-18-19-47-37-33(40)29-30(23-8-6-5-7-9-23)35(24-10-12-25(42-2)13-11-24)34(41,32(29)39)31-27(44-4)20-26(43-3)21-28(31)48-35/h5-13,20-21,29-30,32,39,41H,14-19H2,1-4H3,(H,36,38)(H,37,40)

Standard InChI Key: QQGASLUGJGYHRJ-UHFFFAOYSA-N

Alternative Forms

Parent:

ALA2058181
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide

Associated Targets(Human)

EIF4A1 Tchem Eukaryotic initiation factor 4A-I (286 Activities)

Discover Target: EIF4A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

EIF4A1 Eukaryotic initiation factor 4A-I (8 Activities)

Discover Target: EIF4A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Molecule Features

Natural Product: No	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Small molecule	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

Drug Indications

MESH ID	MESH Heading	EFO IDs	EFO Terms	Max Phase for Indication	References

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Calculated Properties

Molecular Weight: 666.72	Molecular Weight (Monoisotopic): 666.2789	AlogP: 2.18	#Rotatable Bonds: 16
Polar Surface Area: 163.27	Molecular Species: NEUTRAL	HBA: 11	HBD: 4
#RO5 Violations: 2	HBA (Lipinski): 13	HBD (Lipinski): 4	#RO5 Violations (Lipinski): 2
CX Acidic pKa: 6.64	CX Basic pKa: ┄	CX LogP: 1.24	CX LogD: 0.63
Aromatic Rings: 3	Heavy Atoms: 48	QED Weighted: 0.13	Np Likeness Score: 0.67

References

1. Rodrigo CM, Cencic R, Roche SP, Pelletier J, Porco JA.. (2012) Synthesis of rocaglamide hydroxamates and related compounds as eukaryotic translation inhibitors: synthetic and biological studies., 55 (1): [PMID:22128783] [10.1021/jm201263k]

Source

Source(1):

Scientific Literature